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A Graduate Course In Nmr Spectroscopy (Hb 2022) at Meripustak

A Graduate Course In Nmr Spectroscopy (Hb 2022) by HOSUR R.V., SPRINGER

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    Author(s)HOSUR R.V.
    Publish YearFebruary 2022


    SPRINGER A Graduate Course In Nmr Spectroscopy (Hb 2022) by HOSUR R.V.

    This textbook is designed for graduate students to introduce the basic concepts of Nuclear Magnetic Resonance spectroscopy (NMR), spectral analysis and modern developments such as multidimensional NMR, in reasonable detail and rigor. The book is self-contained, so, a unique textbook in that sense with end of chapter exercises included supported by a solution manual. Some of the advanced topics are included as Appendices for quick reference. Students of chemistry who have some exposure to mathematics and physics will benefit from this book and it will prepare them to pursue research in different branches of Chemistry or Biophysics or Structural Biology. Chapter-1: BASIC CONCEPTS1.1 Nuclear Spin and Magnetic Moments1.2 Nuclear Spins in a Magnetic Field1.3 Spin Lattice Relaxation1.4 Spin temperature1.5 Resonance Absorption of Energy and The NMR Experiment1.5.1. The basic NMR spectrometer1.6 Kinetics of Resonance Absorption1.7 Selection Rules1.8 Line widths1.9 Bloch equations1.10 More about relaxation1.11 SensitivityEXERCISESCHAPTER 2: HIGH RESOLUTION NMR SPECTRA OF MOLECULES 2.1 Introduction2.2 Chemical Shift2.2.1 Anisotropy of chemical shifts2.2.2 Factors Influencing Isotropic Chemical shifts2.3 Spin-Spin Coupling2.4 Analysis of NMR spectra of molecules2.4.1 First Order Analysis2.4.2 Quantum Mechanical Analysis2.5 Dynamic Effects in the NMR spectra2.5.1 Two site Chemical Exchange2.5.2. Collapse of spin multiplets2.5.3 Conformational Averaging of J- valuesEXERCISESCHAPTER 3: FOURIER TRANSFORM NMR3.1 Introduction3.2 Principles of Fourier transform NMR3.3 Theorems on Fourier transforms3.4 The FTNMR Spectrometer 3.5. Practical aspects of recording FTNMR spectra3.5.1. Carrier Frequency and off-set3.5.2. RF pulse3.5.3. Free Induction Decay (FID) and the spectrum 3.5.4. Single channel and quadrature detection3.5.5. Signal digitization and sampling3.5.6. Folding of signals3.5.7. Acquisition time and the resolution3.5.8. Signal averaging and Pulse repetition rate3.6. Data processing in FT NMR3.6.1. Zero filling3.6.2. Digital filtration or window multiplication or apodization 3.7 Phase correction3.8. Dynamic range in FTNMR3.9. Spin-echo 3.10. Measurement of relaxation times 3.10.1. Measurement of relaxation time3.10.2. Measurement of relaxation time3.11. Water suppression through spin-echo: Watergate3.12 Spin decoupling3.13 Broad band decoupling3.14 Biliniear Rotational Decoupling (BIRD)EXERCISESCHAPTER 4: POLARIZATION TRANSFER4.1 Introduction4.2 Experimental Schemes4.3 Origin of NOE4.3.1 A simplified treatment4.3.2 A more rigorous treatment4.4 Steady state NOE4.5 Transient NOE4.6. Selective population inversion 4.7. INEPT4.7.1. Disadvantages of INEPT4.8 Refocused INEPT4.9 DEPTEXERCISESCHAPTER 5: Density matrix description of NMR5.1 Introduction5.2 Density matrix5.3 Elements of Density Matrix5.4. Time evolution of density operator 5.5. Matrix representations of RF pulses5.6. Product Operator Formalism 5.6.1. Basis operator sets5.6.2. Time-evolution of Cartesian Basis Operators5.6.2.1 Free evolution under the influence of the Hamiltonian5.6.2.2 Chemical Shift evolution5.6.2.3 Scalar coupling evolution5.6.2.4 Rotation by pulses5.6.2.5 Calculation of the spectrum of J-coupled two spin systemEXERCISESChapter 6: Multidimensional NMR Spectroscopy6.1 Segmentation of the time axis6.2 Two dimensional NMR6.3 Two-dimensional Fourier Transformation in NMR6.4 Peak shapes in 2D spectrum 6.5 Quadrature detection in two-dimensional NMR6.6 Types of 2D-NMR spectra6.6.1 2D- resolution/ separation experiments6.6.2. Two-dimensional correlation experiments The COSY experiment6. COSY of two-spins6. COSY of three-spins6. Disadvantages of COSY6.6.2.2 Double-Quantum Filtered COSY (DQF-COSY) Total Correlation Spectroscopy (TOCSY) Two-dimensional Nuclear Overhauser Effect spectroscopy (2D-NOESY) Two-dimensional ROESY6.6.3 Two-dimensional heteronuclear correlation experiments6.6.3.1 Heteronuclear COSY6.6.3.2 Heteronuclear Multiple Bond Correlation (HMBC) Combination of mixing sequences6.7 Three dimensional NMR6.7.1 The CT-HNCA experiment6.7.2 The HNN experiment6.7.3 The constant-time HN(CO)CA experiment6.7.4 The HN(C)N experimentEXERCISESAPPENDIXA1. Hamiltonian of dipole-dipole interactionA2. Chemical Shift Anisotropy A3. Solid state NMR: basic featuresA4. Coherence selection by linear Field GradientsA5. Pure shift NMR: ZS and PSYCHE methodsA6. HADAMARD NMR for selective excitation